5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H21Cl2N3O — CID 104727352

IUPAC5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(Cl)c(NCCCC(C)(C)/C(N)=N/O)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-9-7-11(16)12(8-10(9)15)18-6-4-5-14(2,3)13(17)19-20/h7-8,18,20H,4-6H2,1-3H3,(H2,17,19)
InChIKeyJBMSTEKUMZAYQH-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.27
Rot. Bonds6

About 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 104727352) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID104727352
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(Cl)c(NCCCC(C)(C)/C(N)=N/O)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-9-7-11(16)12(8-10(9)15)18-6-4-5-14(2,3)13(17)19-20/h7-8,18,20H,4-6H2,1-3H3,(H2,17,19)
InChIKeyJBMSTEKUMZAYQH-UHFFFAOYSA-N
XLogP4.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 107635920
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
4-(3-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062335
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 104727352) is 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1cc(Cl)c(NCCCC(C)(C)/C(N)=N/O)cc1Cl.
What is the InChIKey of 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is JBMSTEKUMZAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-9-7-11(16)12(8-10(9)15)18-6-4-5-14(2,3)13(17)19-20/h7-8,18,20H,4-6H2,1-3H3,(H2,17,19).
What are the key properties of 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 318.25 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 104727352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).